3H-Imidazo[4,5-b]pyridine-6-carbonitrile

Base Information

• Chemical Name: 3H-Imidazo[4,5-b]pyridine-6-carbonitrile
• CAS No.: 773884-58-5
• Molecular Formula: C7H4N4
• Molecular Weight: 144.13
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60406226
• Wikidata: Q82211124
• Mol file: 773884-58-5.mol

Synonyms:3H-Imidazo[4,5-b]pyridine-6-carbonitrile;773884-58-5;1H-imidazo[4,5-b]pyridine-6-carbonitrile;SCHEMBL5765255;SCHEMBL23832147;DTXSID60406226;OZYNGTUTZIFTBW-UHFFFAOYSA-N;MFCD06254750;AKOS002664367;AS-48097;CS-0331087;F17990

Chemical Property of 3H-Imidazo[4,5-b]pyridine-6-carbonitrile

Chemical Property:

• PSA: 65.36000
• LogP: 0.82958
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 144.043596145
• Heavy Atom Count: 11
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

3H-Imidazo[4,5-b]pyridine-6-carbonitrile 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC2=C1NC=N2)C#N

Technology Process of 3H-Imidazo[4,5-b]pyridine-6-carbonitrile

There total 4 articles about 3H-Imidazo[4,5-b]pyridine-6-carbonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

5,6-diaminonicotinonitrile (107238-27-7) + formic acid (64-18-6) + orthoformic acid triethyl ester (122-51-0) → 3H-imidazo[4,5-b]pyridine-6-carbonitrile (773884-58-5)

Guidance literature:

at 100 ℃; for 2h;

Reference yield: 21.0%

→ 3H-imidazo[4,5-b]pyridine-6-carbonitrile (773884-58-5)

Guidance literature:

Reference yield:

6-amino-5-nitronicotinonitrile (1003711-13-4) → 3H-imidazo[4,5-b]pyridine-6-carbonitrile (773884-58-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen; palladium 10% on activated carbon / ethanol / 18 h / 20 °C

2: 2 h / 100 °C

With palladium 10% on activated carbon; hydrogen; In ethanol;

upstream raw materials:

6-amino-5-nitronicotinonitrile

5,6-diaminonicotinonitrile

formic acid

orthoformic acid triethyl ester

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